N-cyclohexyl-2-[4-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]piperidin-1-yl]-N-methyl-6-(4-methylsulfanylphenyl)pyridin-1-ium-3-carboxamide

Systemtic Name: N-cyclohexyl-2-[4-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]piperidin-1-yl]-N-methyl-6-(4-methylsulfanylphenyl)pyridin-1-ium-3-carboxamide Openeye Name: N-cyclohexyl-2-[4-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]-1-piperidyl]-N-methyl-6-(4-methylsulfanylphenyl)pyridin-1-ium-3-carboxamide CAS Name: N-cyclohexyl-2-[4-[(3S)-3-(hydroxymethyl)-1-piperidin-1-iumyl]-1-piperidinyl]-N-methyl-6-[4-(methylthio)phenyl]-3-pyridin-1-iumcarboxamide IUPAC Name: N-cyclohexyl-2-[4-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]piperidin-1-yl]-N-methyl-6-(4-methylsulfanylphenyl)pyridin-1-ium-3-carboxamide Traditional Name: N-cyclohexyl-N-methyl-2-[4-[(3S)-3-methylolpiperidin-1-ium-1-yl]piperidino]-6-[4-(methylthio)phenyl]pyridin-1-ium-3-carboxamide Formula: C31H46N4O2S+2 MolecularWeight: 538.78754

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)C2=C([NH+]=C(C=C2)C3=CC=C(C=C3)SC)N4CCC(CC4)[NH+]5CCCC(C5)CO

Isomeric SMILES

CN(C1CCCCC1)C(=O)C2=C([NH+]=C(C=C2)C3=CC=C(C=C3)SC)N4CCC(CC4)[NH+]5CCC[C@@H](C5)CO

InChI

InChI=1S/C31H44N4O2S/c1-33(25-8-4-3-5-9-25)31(37)28-14-15-29(24-10-12-27(38-2)13-11-24)32-30(28)34-19-16-26(17-20-34)35-18-6-7-23(21-35)22-36/h10-15,23,25-26,36H,3-9,16-22H2,1-2H3/p+2/t23-/m0/s1